MassBank Record: JP001529



 OCTYL ACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001529
RECORD_TITLE: OCTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: OCTYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H20O2 CH$EXACT_MASS: 172.14633 CH$SMILES: CCCCCCCCOC(C)=O CH$IUPAC: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-6M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9000000000-ad8f2fb68399e500c0c0 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 15 5.66 57 27 11.55 116 28 3.3 33 29 17.29 173 31 1.65 17 39 7.23 72 40 1.57 16 41 34.35 344 42 23.58 236 43 99.99 999 44 3.14 31 53 1.97 20 54 3.93 39 55 36.94 369 56 46.77 468 57 16.51 165 58 3.69 37 61 36 360 62 1.18 12 67 3.3 33 68 9.04 90 69 30.5 305 70 43.86 439 71 7.78 78 73 7.07 71 81 1.18 12 82 8.72 87 83 28.85 289 84 34.98 350 85 2.75 28 87 1.41 14 97 3.14 31 98 2.51 25 101 1.73 17 111 1.57 16 112 23.34 233 113 2.36 24 115 3.77 38 //